Spektraris NMR
2,7-Dioxofagonene
Common Name: 2,7-Dioxofagonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12-7-13(22)8-16-19(3)6-5-18(2,17(24)11-21)9-14(19)15(23)10-20(12,16)4/h7,14,16-17,21,24H,5-6,8-11H2,1-4H3/t14-,16-,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=KVWZPTGHOOZLNP-VWJUVAHCSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdelkader, M.S., Omar, A.A., Abdelsalam, N.A., Stermitz, F.R. Phytochemistry (1994) 36, 1431-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Erythroxanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 35.7 |
| 2 (C) | 200.5 |
| 3 (CH) | 128.3 |
| 4 (C) | 170 |
| 5 (C) | 30.7 |
| 6 (CH2) | 50.9 |
| 7 (C) | 213 |
| 8 (CH) | 53.4 |
| 9 (C) | 46.3 |
| 10 (CH) | 55.3 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 29.5 |
| 13 (C) | 44.7 |
| 14 (CH2) | 34.2 |
| 15 (CH) | 82 |
| 16 (CH2) | 63.4 |
| 17 (CH3) | 19.1 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 32.9 |
| 20 (CH3) | 16.1 |
